2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide

C14H21NOS — CID 2954459

IUPAC2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C14H21NOS/c1-4-5-12(3)15-14(16)10-17-13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)
InChIKeySURAGGFURMUXNF-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide

2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide (PubChem CID 2954459) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
PubChem CID2954459
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C14H21NOS/c1-4-5-12(3)15-14(16)10-17-13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16)
InChIKeySURAGGFURMUXNF-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43240777
2-(4-nitrophenyl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 8892304
3-hydroxy-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43238806
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2S)-pentan-2-yl]acetamide
CID 2103753
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46771387
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94018852
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 99998889
2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide
CID 66353279
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide (CID 2954459) is 2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CSc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide?
The InChIKey is SURAGGFURMUXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-5-12(3)15-14(16)10-17-13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide?
2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide has a molecular weight of 251.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide is sourced from PubChem (CID 2954459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).